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Novel carbon-based nonlinear optical (NLO) materials were designed by doping single alkali metal atoms into the surface of graphdiyne (GDY), rather than graphene and graphyne, because AM@GDY (AM = Li, Na, K) possesses an exceptionally high first hyperpolarizability (βtot), especially in the case of K@GDY.
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Li et al. (2018) studied this question.
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